| CAS Number | 14192-13-3 |
| Catalog Number | AG01FFI9(AGN-PC-0NC7CB) |
| Chemical Name | Methyl 2,5-diiodobenzoate |
| IUPAC Name | methyl 2,5-diiodobenzoate |
| InChI | InChI=1S/C8H6I2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
| InChI Key | DYYAKMJJKVLJFN-UHFFFAOYSA-N |
| MDL Number | MFCD21337409 |
| Molecular Formula | C8H6I2O2 |
| Molecular Weight | 387.9410 |
| SMILES | IC1=C(C(=O)OC)C=C(C=C1)I |
| Synonyms | Methyl 2,5-diiodobenzoate,
14192-13-3,
DYYAKMJJKVLJFN-UHFFFAOYSA-N,
SCHEMBL1277539,
2,5-Diiodobenzoic acid methyl ester,
ZINC69586248,
AKOS017340746,
CID10883593,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.846g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.943g/mol |
| Monoisotopic Mass | 387.846g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number